PDBrenum: a webserver and program providing Protein Data Bank files renumbered according to their UniProt sequences
PDBrenum: a webserver and program providing Protein Data Bank files renumbered according to their UniProt sequences
AbstractThe Protein Data Bank (PDB) was established at Brookhaven National Laboratories in 1971 as an archive for biological macromolecular crystal structures. In early 2021, the database has more than 175,000 structures solved by X-ray crystallography, nuclear magnetic resonance, cryo-electron microscopy, and other methods. Many proteins have been studied under different conditions, including binding partners such as ligands, nucleic acids, or other proteins; mutations, and post-translational modifications, thus enabling extensive comparative structure-function studies. However, these studies are made more difficult because authors are allowed by the PDB to number the amino acids in each protein sequence in any manner they wish. This results in the same protein being numbered differently in the available PDB entries. For instance, some authors may include N-terminal signal peptides or the N-terminal methionine in the sequence numbering and others may not. In addition to the coordinates, there are many fields that contain information regarding specific residues in the sequence of each protein in the entry. Here we provide a webserver and Python3 application that fixes the PDB sequence numbering problem by replacing the author numbering with numbering derived from the corresponding UniProt sequences. We obtain this correspondence from the SIFTS database from PDBe. The server and program can take a list of PDB entries or a list of UniProt identifiers (e.g., “P04637” or “P53_HUMAN”) and provide renumbered files in mmCIF format and the legacy PDB format for both asymmetric unit files and biological assembly files provided by PDBe.AvailabilitySource code is freely available athttps://github.com/Faezov/PDBrenum. The webserver is located at:http://dunbrack3.fccc.edu/PDBrenum.Contactbulat.faezov@fccc.eduorroland.dunbrack@fccc.edu.
- Institute of Chemical Biology and Fundamental Medicine Russian Federation
- Temple University Health System United States
- Fox Chase Cancer Center United States
- Institute of Cancer Research United Kingdom
- University of Michigan–Flint United States
570, Internet, Protein Conformation, Science, Q, R, 576, Medicine, Animals, Humans, Amino Acid Sequence, Databases, Protein, Research Article
570, Internet, Protein Conformation, Science, Q, R, 576, Medicine, Animals, Humans, Amino Acid Sequence, Databases, Protein, Research Article
11 Research products, page 1 of 2
- 1999IsRelatedTo
- 2008IsRelatedTo
- 2017IsRelatedTo
- 2017IsRelatedTo
- 2015IsRelatedTo
- 2017IsRelatedTo
- 1998IsRelatedTo
- 2010IsRelatedTo
chevron_left - 1
- 2
chevron_right
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).30 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Top 10% influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Top 10% impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Top 10%
